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Acetaldehyde diphenethyl acetal

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Name

Acetaldehyde diphenethyl acetal

EINECS 204-568-2
CAS No. 122-71-4 Density 1.031 g/cm3
PSA 18.46000 LogP 3.85100
Solubility Solubility in ethanol 95%: Soluble in all proportions Melting Point N/A
Formula C18H22 O2 Boiling Point 355.2 °C at 760 mmHg
Molecular Weight 270.371 Flash Point 125 °C
Transport Information N/A Appearance A clear, almost colourless liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 122-71-4 (PHENYLETHYL ACETAL) Hazard Symbols N/A
Synonyms

Acetaldehyde,diphenethyl acetal (6CI,7CI,8CI);Ethane, 1,1-bis(phenethyloxy)- (6CI);

Article Data 7

Acetaldehyde diphenethyl acetal Specification

 The Acetaldehyde diphenethyl acetal, with the CAS registry number 122-71-4.It belongs to the product Organic matters.This chemical's molecular formula is C18H22O2 and molecular weight is 270.36. What's more,Its systematic name is 1,1'-[1,1-Ethanediylbis(oxy-2,1-ethanediyl)]dibenzene.

Physical properties about Acetaldehyde diphenethyl acetal are: (1)ACD/LogP: 4.038; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 690.65; (6)ACD/BCF (pH 7.4): 690.65; (7)ACD/KOC (pH 5.5): 3749.24; (8)ACD/KOC (pH 7.4): 3749.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 82.27 cm3; (14)Molar Volume: 262.081 cm3; (15)Polarizability: 32.614 10-24cm3; (16)Surface Tension: 38.2750015258789 dyne/cm; (17)Density: 1.032 g/cm3; (18)Flash Point: 124.971 °C; (19)Enthalpy of Vaporization: 57.67 kJ/mol; (20)Boiling Point: 355.249 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:O(CCc1ccccc1)C(OCCc2ccccc2)C;
(2)Std. InChI:InChI=1S/C18H22O2/c1-16(19-14-12-17-8-4-2-5-9-17)20-15-13-18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3;
(3)Std. InChIKey:JBMMTNRBVCXMHJ-UHFFFAOYSA-N.

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